(3Z)-3-[(Z)-but-2-enylidene]-N,N-dimethyl-2-methylidene-1,4,5,6-tetrahydrocyclopenta[b]pyrrol-5-amine

C14H20N2 — CID 162388649

IUPAC(3Z)-3-[(Z)-but-2-enylidene]-N,N-dimethyl-2-methylidene-1,4,5,6-tetrahydrocyclopenta[b]pyrrol-5-amine
SMILESC=c1[nH]c2c(/c1=C/C=C\C)CC(N(C)C)C2
InChIInChI=1S/C14H20N2/c1-5-6-7-12-10(2)15-14-9-11(16(3)4)8-13(12)14/h5-7,11,15H,2,8-9H2,1,3-4H3/b6-5-,12-7+
InChIKeyDCPSPUHFJMLWLC-UNKATYBDSA-N
MW216.33 g/mol
LogP0.81
Rot. Bonds2

About (3Z)-3-[(Z)-but-2-enylidene]-N,N-dimethyl-2-methylidene-1,4,5,6-tetrahydrocyclopenta[b]pyrrol-5-amine

(3Z)-3-[(Z)-but-2-enylidene]-N,N-dimethyl-2-methylidene-1,4,5,6-tetrahydrocyclopenta[b]pyrrol-5-amine (PubChem CID 162388649) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is (3Z)-3-[(Z)-but-2-enylidene]-N,N-dimethyl-2-methylidene-1,4,5,6-tetrahydrocyclopenta[b]pyrrol-5-amine.

Molecular Properties

Compound Name(3Z)-3-[(Z)-but-2-enylidene]-N,N-dimethyl-2-methylidene-1,4,5,6-tetrahydrocyclopenta[b]pyrrol-5-amine
PubChem CID162388649
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name(3Z)-3-[(Z)-but-2-enylidene]-N,N-dimethyl-2-methylidene-1,4,5,6-tetrahydrocyclopenta[b]pyrrol-5-amine
SMILESC=c1[nH]c2c(/c1=C/C=C\C)CC(N(C)C)C2
InChIInChI=1S/C14H20N2/c1-5-6-7-12-10(2)15-14-9-11(16(3)4)8-13(12)14/h5-7,11,15H,2,8-9H2,1,3-4H3/b6-5-,12-7+
InChIKeyDCPSPUHFJMLWLC-UNKATYBDSA-N
XLogP0.81
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4S)-N,N-dimethyl-7,9,12-triazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-4-amine
CID 162388544
N,N-dimethyl-7,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-4-amine
CID 162388539
(3Z,5R,7R)-7-(1,3-benzodioxol-5-yl)-3-[(Z)-but-2-enylidene]-2-methylidene-N-pentyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine-5-carboxamide
CID 163534525
(4S)-4-(dimethylamino)-6-methylideneoxan-2-ol
CID 159039931
1-[(E)-but-2-en-2-yl]-N,N-dimethylpiperidin-4-amine
CID 144864042
2-(dimethylamino)-2,3-dihydro-1H-indene-5-carboxylic acid
CID 105457500
(2R)-6-bromo-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-2-amine;hydrochloride
CID 140998240
2-but-2-enylidene-3-methylidene-1,4-dioxane
CID 123458039
(5E)-5-[(Z)-but-2-enylidene]-1,2,3-tris(ethenyl)-6-methylidene-4-[(Z)-prop-1-enyl]cyclohexa-1,3-diene
CID 174326302
(1Z)-1-[(Z)-but-2-enylidene]-2-methylidenecyclopentane;ethane
CID 143072942
5,6-dimethoxy-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine
CID 12009520
4-chloro-N,N-dimethyl-3-methylidenecyclohexan-1-amine
CID 90834219

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(Z)-but-2-enylidene]-N,N-dimethyl-2-methylidene-1,4,5,6-tetrahydrocyclopenta[b]pyrrol-5-amine?
The IUPAC name of (3Z)-3-[(Z)-but-2-enylidene]-N,N-dimethyl-2-methylidene-1,4,5,6-tetrahydrocyclopenta[b]pyrrol-5-amine (CID 162388649) is (3Z)-3-[(Z)-but-2-enylidene]-N,N-dimethyl-2-methylidene-1,4,5,6-tetrahydrocyclopenta[b]pyrrol-5-amine.
What is the SMILES notation for (3Z)-3-[(Z)-but-2-enylidene]-N,N-dimethyl-2-methylidene-1,4,5,6-tetrahydrocyclopenta[b]pyrrol-5-amine?
The canonical SMILES for (3Z)-3-[(Z)-but-2-enylidene]-N,N-dimethyl-2-methylidene-1,4,5,6-tetrahydrocyclopenta[b]pyrrol-5-amine is C=c1[nH]c2c(/c1=C/C=C\C)CC(N(C)C)C2.
What is the InChIKey of (3Z)-3-[(Z)-but-2-enylidene]-N,N-dimethyl-2-methylidene-1,4,5,6-tetrahydrocyclopenta[b]pyrrol-5-amine?
The InChIKey is DCPSPUHFJMLWLC-UNKATYBDSA-N. The full InChI is InChI=1S/C14H20N2/c1-5-6-7-12-10(2)15-14-9-11(16(3)4)8-13(12)14/h5-7,11,15H,2,8-9H2,1,3-4H3/b6-5-,12-7+.
What are the key properties of (3Z)-3-[(Z)-but-2-enylidene]-N,N-dimethyl-2-methylidene-1,4,5,6-tetrahydrocyclopenta[b]pyrrol-5-amine?
(3Z)-3-[(Z)-but-2-enylidene]-N,N-dimethyl-2-methylidene-1,4,5,6-tetrahydrocyclopenta[b]pyrrol-5-amine has a molecular weight of 216.33 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(Z)-but-2-enylidene]-N,N-dimethyl-2-methylidene-1,4,5,6-tetrahydrocyclopenta[b]pyrrol-5-amine is sourced from PubChem (CID 162388649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).